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CAS 115102-54-0

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{[4-AMINO-5-(ETHOXYCARBONYL)PYRIMIDIN-2-YL]THIO}ACETIC ACID

Description:
The chemical substance known as {[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid, with the CAS number 115102-54-0, is a compound that features a pyrimidine ring substituted with an amino group and an ethoxycarbonyl group, along with a thioacetic acid moiety. This structure suggests that it possesses both acidic and basic properties, making it potentially useful in various chemical reactions and applications. The presence of the thio group indicates that it may participate in nucleophilic substitution reactions, while the ethoxycarbonyl group can enhance its solubility in organic solvents. The compound may exhibit biological activity, possibly acting as an intermediate in pharmaceutical synthesis or as a potential drug candidate due to its unique functional groups. Its stability, reactivity, and solubility characteristics would depend on the specific conditions of use, such as pH and temperature. Overall, this compound represents a versatile structure with potential applications in medicinal chemistry and organic synthesis.
Formula:C9H10N3O4S
InChI:InChI=1/C9H11N3O4S/c1-2-16-8(15)5-3-11-9(12-7(5)10)17-4-6(13)14/h3H,2,4H2,1H3,(H,13,14)(H2,10,11,12)/p-1
SMILES:CCOC(=O)c1cnc([nH]c1=N)SCC(=O)[O-]
Synonyms:
  • {[4-Amino-5-(Ethoxycarbonyl)Pyrimidin-2-Yl]Sulfanyl}Acetic Acid
  • {[4-Amino-5-(Ethoxycarbonyl)Pyrimidin-2-Yl]Sulfanyl}Acetate
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